[3-[[3-(3-aminoprop-1-ynyl)-5-fluorophenyl]methoxy]phenyl]methanol

C17H16FNO2 — CID 79698141

IUPAC[3-[[3-(3-aminoprop-1-ynyl)-5-fluorophenyl]methoxy]phenyl]methanol
SMILESNCC#Cc1cc(F)cc(COc2cccc(CO)c2)c1
InChIInChI=1S/C17H16FNO2/c18-16-8-13(4-2-6-19)7-15(9-16)12-21-17-5-1-3-14(10-17)11-20/h1,3,5,7-10,20H,6,11-12,19H2
InChIKeyCLTCVVTYIWYZCG-UHFFFAOYSA-N
MW285.32 g/mol
LogP2.21
Rot. Bonds4

About [3-[[3-(3-aminoprop-1-ynyl)-5-fluorophenyl]methoxy]phenyl]methanol

[3-[[3-(3-aminoprop-1-ynyl)-5-fluorophenyl]methoxy]phenyl]methanol (PubChem CID 79698141) has the molecular formula C17H16FNO2 and a molecular weight of 285.32 g/mol. Its IUPAC name is [3-[[3-(3-aminoprop-1-ynyl)-5-fluorophenyl]methoxy]phenyl]methanol.

Molecular Properties

Compound Name[3-[[3-(3-aminoprop-1-ynyl)-5-fluorophenyl]methoxy]phenyl]methanol
PubChem CID79698141
Molecular FormulaC17H16FNO2
Molecular Weight285.32 g/mol
Exact Mass285.12
IUPAC Name[3-[[3-(3-aminoprop-1-ynyl)-5-fluorophenyl]methoxy]phenyl]methanol
SMILESNCC#Cc1cc(F)cc(COc2cccc(CO)c2)c1
InChIInChI=1S/C17H16FNO2/c18-16-8-13(4-2-6-19)7-15(9-16)12-21-17-5-1-3-14(10-17)11-20/h1,3,5,7-10,20H,6,11-12,19H2
InChIKeyCLTCVVTYIWYZCG-UHFFFAOYSA-N
XLogP2.21
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-[3-[(3-ethylphenoxy)methyl]-5-fluorophenyl]prop-2-yn-1-amine
CID 79697897
3-[3-fluoro-5-[(3-methoxyphenoxy)methyl]phenyl]prop-2-yn-1-amine
CID 79697880
3-[3-fluoro-5-[(3-methylphenoxy)methyl]phenyl]prop-2-yn-1-amine
CID 79706453
3-[3-[(3-fluorophenyl)methoxy]phenyl]prop-2-yn-1-amine
CID 55025222
3-[3-fluoro-5-(phenylmethoxymethyl)phenyl]prop-2-yn-1-amine
CID 79706894
4-[[3-(3-aminoprop-1-ynyl)-5-fluorophenoxy]methyl]phenol
CID 81326535
3-[3-(phenoxymethyl)phenyl]prop-2-yn-1-amine
CID 54969909
3-[3-[(2-chlorophenoxy)methyl]-5-fluorophenyl]prop-2-yn-1-amine
CID 79706055
3-[[3-(hydroxymethyl)phenoxy]methyl]benzonitrile
CID 28561914
[3-[[2-(aminomethyl)-4-fluorophenyl]methoxy]phenyl]methanol
CID 63289394
1-[(3-ethylphenoxy)methyl]-3,5-difluorobenzene
CID 105409859
[4-[(3-fluorophenyl)methoxy]phenyl]methanol
CID 887902

Frequently Asked Questions

What is the IUPAC name of [3-[[3-(3-aminoprop-1-ynyl)-5-fluorophenyl]methoxy]phenyl]methanol?
The IUPAC name of [3-[[3-(3-aminoprop-1-ynyl)-5-fluorophenyl]methoxy]phenyl]methanol (CID 79698141) is [3-[[3-(3-aminoprop-1-ynyl)-5-fluorophenyl]methoxy]phenyl]methanol.
What is the SMILES notation for [3-[[3-(3-aminoprop-1-ynyl)-5-fluorophenyl]methoxy]phenyl]methanol?
The canonical SMILES for [3-[[3-(3-aminoprop-1-ynyl)-5-fluorophenyl]methoxy]phenyl]methanol is NCC#Cc1cc(F)cc(COc2cccc(CO)c2)c1.
What is the InChIKey of [3-[[3-(3-aminoprop-1-ynyl)-5-fluorophenyl]methoxy]phenyl]methanol?
The InChIKey is CLTCVVTYIWYZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO2/c18-16-8-13(4-2-6-19)7-15(9-16)12-21-17-5-1-3-14(10-17)11-20/h1,3,5,7-10,20H,6,11-12,19H2.
What are the key properties of [3-[[3-(3-aminoprop-1-ynyl)-5-fluorophenyl]methoxy]phenyl]methanol?
[3-[[3-(3-aminoprop-1-ynyl)-5-fluorophenyl]methoxy]phenyl]methanol has a molecular weight of 285.32 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[3-(3-aminoprop-1-ynyl)-5-fluorophenyl]methoxy]phenyl]methanol is sourced from PubChem (CID 79698141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).